(2S,3S)-2-[(2-cyano-4-nitro-phenyl)amino]-3-methyl-pentanoate

Systemtic Name: (2S,3S)-2-[(2-cyano-4-nitro-phenyl)amino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-(2-cyano-4-nitro-anilino)-3-methyl-pentanoate CAS Name: (2S,3S)-2-(2-cyano-4-nitroanilino)-3-methylpentanoate IUPAC Name: (2S,3S)-2-(2-cyano-4-nitroanilino)-3-methylpentanoate Traditional Name: (2S,3S)-2-(2-cyano-4-nitro-anilino)-3-methyl-valerate Formula: C13H14N3O4- MolecularWeight: 276.26796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H15N3O4/c1-3-8(2)12(13(17)18)15-11-5-4-10(16(19)20)6-9(11)7-14/h4-6,8,12,15H,3H2,1-2H3,(H,17,18)/p-1/t8-,12-/m0/s1